SCHEMBL137046

SCHEMBL137046

Brc1ccc(-c2ncn(C3CCCCO3)n2)nc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.35
CYP4A11 Q02928 5/20 0.35
CYP2C19 P33261 1/20 0.34
FLT3 P36888 4/20 0.34
CD274 Q9NZQ7 1/20 0.32
RET P07949 1/20 0.32
SPR P35270 1/20 0.31
CYP19A1 P11511 1/20 0.30
YTHDC1 Q96MU7 1/20 0.30
ATR Q13535 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29522156 1.00 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19FLT3CD274
SCHEMBL15176842 0.86 CYP4F2 (0.39) CYP4F2CYP4A11CYP2C19CD274RET
SCHEMBL482091 0.82 CYP4F2 (0.34) CYP4F2CYP4A11CYP2C19CD274YTHDC1
SCHEMBL153542 0.80 CYP2C19 (0.35) CYP4F2CYP4A11CYP2C19FLT3CD274
SCHEMBL26130683 0.78 KDM5B (0.42) CYP4F2CYP4A11CYP2C19FLT3
SCHEMBL30895651 0.78 KDM5B (0.42) CYP4F2CYP4A11CYP2C19FLT3
SCHEMBL481810 0.77 CYP4F2 (0.36) CYP4F2CYP4A11CYP2C19FLT3RET
SCHEMBL22449803 0.77 AHR (0.35) CYP2C19FLT3CD274
SCHEMBL16186767 0.76 GAA (0.36) CYP4F2CYP4A11CYP2C19
SCHEMBL2145229 0.75 CYP2C19 (0.42) CYP4F2CYP4A11CYP2C19FLT3CD274

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
US-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2023-04-20 US disclosed
US-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2023-04-20 US disclosed
US-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2022-04-05 US disclosed
CN-106117213-B Heteroaryl compounds and methods for their synthesis and purification 西格诺药品有限公司 2022-03-18 CN disclosed
US-20200262840-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2020-08-20 US disclosed
US-20200262840-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2020-08-20 US disclosed
US-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US disclosed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, PDK1 CYP4F2 1413/4885CYP4A11 1383/4885CYP2C19 500/4885
US-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR CYP4F2 2399/4885CYP4A11 1891/4885CYP2C19 594/4885
US-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, RPTOR CYP4F2 2009/4885CYP4A11 1818/4885CYP2C19 648/4885
US-20200262840-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR CYP4F2 2399/4885CYP4A11 1891/4885CYP2C19 594/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR CYP4F2 3337/4885CYP4A11 2218/4885CYP2C19 665/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL CYP4F2 565/4885CYP4A11 252/4885CYP2C19 803/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 CYP4F2 824/4885CYP4A11 356/4885CYP2C19 1570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.